SCHEMBL172107

SCHEMBL172107

CC1CN(C(=O)OC(C)(C)C)Cc2sc(N)nc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.43
SCN4A P35499 1/20 0.39
SCN5A Q14524 1/20 0.38
SCN3A Q9NY46 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
GPR119 Q8TDV5 1/20 0.35
NR1H2 P55055 2/20 0.35
PIK3CA P42336 1/20 0.35
USP30 Q70CQ3 2/20 0.34
GRAMD1A Q96CP6 1/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
PBRM1 Q86U86 1/20 0.33
MAP4K4 O95819 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22892311 0.88 ADORA1 (0.44) ADORA1SCN4ASCN5ASCN3AKDM4E
SCHEMBL31214306 0.80 SCN4A (0.45) ADORA1SCN4ASCN5ASCN3AKDM4E
SCHEMBL16224796 0.80 SCN4A (0.45) ADORA1SCN4ASCN5ASCN3AKDM4E
SCHEMBL741852 0.78 ADORA1 (0.47) ADORA1SCN4ASCN5ASCN3AKDM4E
SCHEMBL172106 0.74 ADORA1 (0.56) ADORA1SCN4ASCN5ASCN3AKDM4E
SCHEMBL16224707 0.74 SCN4A (0.43) ADORA1SCN4ASCN5ASCN3AKDM4E
SCHEMBL21040989 0.73 ADORA1 (0.39) ADORA1KDM4EMAPTNR1H2GRAMD1A
SCHEMBL21041392 0.72 SCN4A (0.48) ADORA1SCN4ASCN5ASCN3AKDM4E
SCHEMBL19549752 0.72 NR1H2 (0.46) ADORA1SCN4ASCN5ASCN3AKDM4E
SCHEMBL31409422 0.72 SCN4A (0.53) ADORA1SCN4ASCN5ASCN3AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
EP-2426135-A1 UREA DERIVATIVE HAVING PI3K INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-03-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 ADORA1 3670/4885SCN4A 4064/4885SCN5A 4499/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.